1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane

C6H14FO5P — CID 175578915

IUPAC1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane
SMILESCOCCOP(=O)(F)OCCOC
InChIInChI=1S/C6H14FO5P/c1-9-3-5-11-13(7,8)12-6-4-10-2/h3-6H2,1-2H3
InChIKeyXZDUAAABQKDQNH-UHFFFAOYSA-N
MW216.14 g/mol
LogP1.39
Rot. Bonds8

About 1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane

1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane (PubChem CID 175578915) has the molecular formula C6H14FO5P and a molecular weight of 216.14 g/mol. Its IUPAC name is 1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane.

Molecular Properties

Compound Name1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane
PubChem CID175578915
Molecular FormulaC6H14FO5P
Molecular Weight216.14 g/mol
Exact Mass216.06
IUPAC Name1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane
SMILESCOCCOP(=O)(F)OCCOC
InChIInChI=1S/C6H14FO5P/c1-9-3-5-11-13(7,8)12-6-4-10-2/h3-6H2,1-2H3
InChIKeyXZDUAAABQKDQNH-UHFFFAOYSA-N
XLogP1.39
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane?
The IUPAC name of 1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane (CID 175578915) is 1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane.
What is the SMILES notation for 1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane?
The canonical SMILES for 1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane is COCCOP(=O)(F)OCCOC.
What is the InChIKey of 1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane?
The InChIKey is XZDUAAABQKDQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO5P/c1-9-3-5-11-13(7,8)12-6-4-10-2/h3-6H2,1-2H3.
What are the key properties of 1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane?
1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane has a molecular weight of 216.14 g/mol, XLogP of 1.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane is sourced from PubChem (CID 175578915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).